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Ligand

NameMLS000094053
Molecular formulaC16H16FN5O2S
IUPAC nameethyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylbutanoate
Molecular weight361.395
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.5
SynonymsSMR000029668
ethyl 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanylbutanoate
ethyl 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]thio}butanoate
ethyl 2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)butanoate
AC1MMDA5
[ Show all ]
Inchi KeyAACUKVXTFOXDGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H16FN5O2S/c1-3-12(16(23)24-4-2)25-15-13-14(18-9-19-15)22(21-20-13)11-7-5-10(17)6-8-11/h5-9,12H,3-4H2,1-2H3
PubChem CID3236943
ChEMBLCHEMBL1569877
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
66Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
67Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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